| SpectraBase Spectrum ID |
8nVsHqOYDON |
| Name |
Fumaric acid, 2,5-dichlorophenyl undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.136464778 u |
| Formula |
C21H28Cl2O4 |
| InChI |
InChI=1S/C21H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-15-26-20(24)13-14-21(25)27-19-16-17(22)11-12-18(19)23/h11-14,16H,2-10,15H2,1H3/b14-13+ |
| InChIKey |
MNWVCLBANKVHSG-BUHFOSPRSA-N |
| Molecular Weight |
415.357 g/mol |
| SMILES |
C(OC1=CC(=CC=C1Cl)Cl)(\C=C\C(OCCCCCCCCCCC)=O)=O |
